2-methoxy-3-methylbutanoic acid | 66018-25-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 2-methoxy-3-methylbutanoic acid
• CAS: 66018-25-5
• 化学式: C₆H₁₂O₃
• mdl: MFCD09947964
• 分子量: 132.159
• InChiKey: CRNWYNSIQHMCOB-UHFFFAOYSA-N

物化性质

• 沸点：
  104 °C(Press: 16 Torr)
• 密度：
  1.034 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methoxy-3-methylbutanoic acid 在 4-二甲氨基吡啶 、 草酰氯 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 4.0h， 生成 2-methoxy-N,N,3-trimethylbutanamide
  参考文献：
  名称：

  有机锂化学中的半稳定性配体：取代基对锂离子螯合的影响

  摘要：

  使用大约 50 种潜在的半稳定性聚醚和氨基醚研究了二异丙基氨基锂介导的 1,2-消除 1-溴环辛烯以提供环辛炔。选定配体的速率定律揭示了基于螯合单体的途径。速率对配体结构的依赖性表明基于 gem-二甲基效应的预期速率加速是不存在的，并且取代基通常会阻碍反应。借助半经验和 DFT 计算研究，讨论了影响螯合的因素。似乎富含置换的配体的螯合物内的严重支撑排除了螯合物相对于非螯合（eta（1）溶剂化）形式的净稳定。一种配体-MeOCH(2)CH(2)NMe(2)-似乎通过更高配位的基于单体的途径促进消除。

  DOI：

  10.1021/ja030322d
• 作为产物：
  描述：

  2-溴代异戊酸 在 sodium methylate 作用下， 生成 2-methoxy-3-methylbutanoic acid 、 3,3-二甲基丙烯酸
  参考文献：
  名称：

  Owen, Journal of the Chemical Society, 1949, p. 238

  摘要：

  DOI：

文献信息

• [EN] AMINO-SUBSTITUTED 3-HETEROAROYLAMINO-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] DÉRIVÉS DE L'ACIDE 3-HÉTÉROAROYLAMINO-PROPIONIQUE AMINO SUBSTITUÉS ET LEUR UTILISATION EN TANT QUE PRODUITS PHARMACEUTIQUES
  申请人：SANOFI SA

  公开号：WO2012101199A1

  公开（公告）日：2012-08-02

  Amino-substituted 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals The present invention relates to compounds of the formula (I), wherein A, D, E, G, R10 R11, R30 R40 R50 and R60 have the meanings indicated in the claims, which are valuable pharmaceutical active compounds. They are inhibitors of the protease cathepsin A, and are useful for the treatment of diseases such as atherosclerosis, heart failure, renal diseases, liver diseases or inflammatory diseases, for example. The invention furthermore relates to processes for the preparation of the compounds of the formula I, their use and pharmaceutical compositions comprising them.

  氨基取代的3-杂环酰胺基丙酸衍生物及其作为药物的用途。本发明涉及式(I)的化合物，其中A、D、E、G、R10、R11、R30、R40、R50和R60具有权利要求中所示的含义，它们是有价值的药用活性化合物。它们是蛋白酶卡特普西A的抑制剂，可用于治疗动脉粥样硬化、心力衰竭、肾脏疾病、肝脏疾病或炎症性疾病等疾病。此外，本发明还涉及制备式I化合物的方法、它们的用途以及包含它们的药物组合物。
• [EN] BENZIIMIDAZOLE AND IMIDAZOPYRIDINE DERIVATIVES AS SODIUM CHANNEL MODULATORS<br/>[FR] DÉRIVÉS D'IMIDAZOPYRIDINE ET DE BENZIIMIDAZOLE EN TANT QUE MODULATEURS DU CANAL SODIUM
  申请人：PFIZER

  公开号：WO2013114250A1

  公开（公告）日：2013-08-08

  The invention relates to benzimidazole and imidazopyridine derivatives, to their use in medicine, to compositions containing them, to processes for their preparation and to intermediates used in such processes. More particularly the invention relates to new Nav1.8 modulators of formula (I) or pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, R6, R7. X and Y are as defined in the description. Nav1.8 modulators are potentially useful in the treatment of a wide range of disorders, particularly pain.

  这项发明涉及苯并咪唑和咪唑吡啶衍生物，它们在药物中的应用，含有它们的组合物，它们的制备方法以及用于这些方法的中间体。更具体地，该发明涉及公式(I)的新Nav1.8调节剂或其药用盐，其中R1、R2、R3、R4、R5、R6、R7、X和Y如描述中所定义。Nav1.8调节剂在治疗各种疾病，特别是疼痛方面，具有潜在的用途。
• [EN] DIAZONAMIDE ANALOGS<br/>[FR] ANALOGUES DE DIAZONAMIDE
  申请人：JOYANT PHARMACEUTICALS INC

  公开号：WO2009143485A1

  公开（公告）日：2009-11-26

  Novel diazonamide analogs having anti-mitotic activity, useful for the treatment of cancer and other proliferative disorders are provided.

  提供具有抗有丝分裂活性的新型重氮胺类似物，可用于治疗癌症和其他增殖性疾病。
• [EN] NOVEL PYRAZOLO PYRIMIDINE DERIVATIVES AND THEIR USE AS MALT1 INHIBITORS<br/>[FR] NOUVEAUX DÉRIVÉS PYRAZOLO-PYRIMIDINE ET LEUR UTILISATION COMME INHIBITEURS DE MALT1
  申请人：NOVARTIS AG

  公开号：WO2015181747A1

  公开（公告）日：2015-12-03

  The present invention describes new pyrazolo-pyrimidine derivatives of formula (I) or a pharmaceutically acceptable salt thereof; (I) wherein, R1 is halogen, cyano, or C1-C3alkyl optionally substituted by halogen; R2 is C1-C6alkyl optionally substituted one or more times by C1-C6alkyl, C2-C6alkenyl, hydroxyl, N,N-di-C1-C6alkyl amino, N-mono-C1-C6alkyl amino, O-Rg, Rg, phenyl, or by C1-C6alkoxy wherein said alkoxy again may optionally be substituted by C1-C6alkoxy, N,N-di-C1-C6alkyl amino, Rg or phenyl; C3-C6cycloalkyl optionally substituted by C1-C6alkyl, N,N-di-C1-C6alkyl amino or C1-C6alkoxy-C1-C6alkyl, and/or two of said optional substituents together with the atoms to which they are bound may form an annulated or spirocyclic 4 - 6 membered saturated heterocyclic ring comprising 1 - 2 O atoms; phenyl optionally substituted by C1-C6alkoxy; a 5 - 6 membered heteroaryl ring having 1 to 3 heteroatoms selected from N and O said ring being optionally substituted by C1-C6alkyl which may be optionally substituted by amino or hydroxy; Rg; or N,N-di-C1-C6alkyl amino carbonyl; and R is phenyl independently substituted two or more times by Ra, 2-pyridyl independently substituted one or more times by Rb, 3-pyridyl independently substituted one or more times by Rc, or 4-pyridyl independently substituted one or more times by Rd; which are generally interacting with MALT1 proteolytic and/or autoproteolytic activity, and in particular which may inhibit said activity. The present invention further describes the synthesis of said new pyrazolo-pyrimidine derivatives, their use as a medicament, especially by interacting with MALT1 proteolytic and/or autoproteolytic activity.

  本发明描述了新的吡唑基嘧啶衍生物（I）或其药学上可接受的盐；（I）其中，R1是卤素、氰基或由卤素取代的C1-C3烷基；R2是C1-C6烷基，可选地由C1-C6烷基、C2-C6烯基、羟基、N,N-二C1-C6烷基氨基、N-单C1-C6烷基氨基、O-Rg、Rg、苯基或由C1-C6烷氧基取代的C1-C6烷基取代一次或多次，其中该烷氧基再次可选地由C1-C6烷氧基、N,N-二C1-C6烷基氨基、Rg或苯基取代；C3-C6环烷基，可选地由C1-C6烷基、N,N-二C1-C6烷基氨基或C1-C6烷氧基-C1-C6烷基取代，和/或两个可选取代基与它们连接的原子一起可以形成1-2个氧原子的环化或螺环4-6成员饱和杂环环，包括苯基，可选地由C1-C6烷氧基取代；具有1至3个异原子（N和O）的5-6成员杂环环，该环可选地由C1-C6烷基取代，该烷基可选地由氨基或羟基取代；Rg；或N,N-二C1-C6烷基氨基羰基；R独立地由Ra取代两次或两次以上，独立地由Rb取代一次或多次的2-吡啶基，独立地由Rc取代一次或多次的3-吡啶基，或独立地由Rd取代一次或多次的4-吡啶基；这些基本上与MALT1蛋白酶和/或自体蛋白酶活性相互作用，特别是可能抑制该活性。本发明进一步描述了所述新的吡唑基嘧啶衍生物的合成，它们作为药物的用途，特别是通过与MALT1蛋白酶和/或自体蛋白酶活性相互作用。
• [EN] POLYMERISABLE PHOTOINITIATORS FOR LED CURABLE COMPOSITIONS<br/>[FR] PHOTOINITIATEURS POLYMÉRISABLES POUR COMPOSITIONS DURCISSABLES PAR LED
  申请人：AGFA GEVAERT

  公开号：WO2012052288A1

  公开（公告）日：2012-04-26

  A polymerisable photoinitiator according to Formula (I): wherein: R1 and R2 are independently selected from the group consisting of hydrogen, a substituted or unsubstituted alkyl group, a substituted or unsubstituted alkenyl group, a substituted or unsubstituted alkynyl group, a substituted or unsubstituted aralkyl group, a substituted or unsubstituted alkaryl group, a substituted or unsubstituted aryl or heteroaryl group, a halogen, an ether group, a thioether group, an aldehyde group, a ketone group, an ester group, an amide group, an amine and a nitro group; R1 and R2 may represent the necessary atoms to form a five to eight memberering; L represents an n+m-valent linking group comprising 1 to 30 carbon atoms; A represents a radically polymerizable group selected from the group consisting of an acrylate group, a methacrylate group, a styrene group, an acryl amide group a methacryl amide group, a maleate group, a fumarate group, an itaconate group, a vinyl ether group, an allyl ether group, a vinyl ester group and an allyl ester group;and n and m independently represent an integer from 1 to 5. Methods for preparing the polymerisable photoinitiator and radiation curable compositions including the polymerisable photoinitiator are also disclosed.

  根据公式（I）提供的可聚合光引发剂：其中：R1和R2独立地选自包括氢，取代或未取代的烷基，取代或未取代的烯基，取代或未取代的炔基，取代或未取代的芳基烷基，取代或未取代的烷基芳基基，取代或未取代的芳基或杂芳基，卤素，醚基，硫醚基，醛基，酮基，酯基，酰胺基，胺基和硝基的群; R1和R2可以表示形成五到八成员环所必需的原子; L表示1到30个碳原子的n+m价键连接基；A表示选自包括丙烯酸酯基，甲基丙烯酸酯基，苯乙烯基，丙烯酰胺基，甲基丙烯酰胺基，马来酸酯基，富马酸酯基，顺丁烯二酸酯基，乙烯醚基，烯丙醚基，乙烯酸酯基和烯丙酸酯基的自由基聚合基团; n和m独立地表示1到5的整数。还公开了制备可聚合光引发剂和包括可聚合光引发剂的辐射可固化组合物的方法。